dichloroiron;1-[5-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-3H-pyrrol-2-yl]-N-quinolin-8-ylethanimine

C26H21Cl2FeN5 — CID 18718832

IUPACdichloroiron;1-[5-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-3H-pyrrol-2-yl]-N-quinolin-8-ylethanimine
SMILESC/C(=N\c1cccc2cccnc12)C1=CCC(/C(C)=N/c2cccc3cccnc23)=N1.Cl[Fe]Cl
InChIInChI=1S/C26H21N5.2ClH.Fe/c1-17(29-23-11-3-7-19-9-5-15-27-25(19)23)21-13-14-22(31-21)18(2)30-24-12-4-8-20-10-6-16-28-26(20)24;;;/h3-13,15-16H,14H2,1-2H3;2*1H;/q;;;+2/p-2/b29-17+,30-18+;;;
InChIKeyJUSDUBYUHNLMRB-GYCDCWHSSA-L
MW530.24 g/mol
LogP7.77
Rot. Bonds4

About dichloroiron;1-[5-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-3H-pyrrol-2-yl]-N-quinolin-8-ylethanimine

dichloroiron;1-[5-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-3H-pyrrol-2-yl]-N-quinolin-8-ylethanimine (PubChem CID 18718832) has the molecular formula C26H21Cl2FeN5 and a molecular weight of 530.24 g/mol. Its IUPAC name is dichloroiron;1-[5-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-3H-pyrrol-2-yl]-N-quinolin-8-ylethanimine.

Molecular Properties

Compound Namedichloroiron;1-[5-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-3H-pyrrol-2-yl]-N-quinolin-8-ylethanimine
PubChem CID18718832
Molecular FormulaC26H21Cl2FeN5
Molecular Weight530.24 g/mol
Exact Mass529.05
IUPAC Namedichloroiron;1-[5-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-3H-pyrrol-2-yl]-N-quinolin-8-ylethanimine
SMILESC/C(=N\c1cccc2cccnc12)C1=CCC(/C(C)=N/c2cccc3cccnc23)=N1.Cl[Fe]Cl
InChIInChI=1S/C26H21N5.2ClH.Fe/c1-17(29-23-11-3-7-19-9-5-15-27-25(19)23)21-13-14-22(31-21)18(2)30-24-12-4-8-20-10-6-16-28-26(20)24;;;/h3-13,15-16H,14H2,1-2H3;2*1H;/q;;;+2/p-2/b29-17+,30-18+;;;
InChIKeyJUSDUBYUHNLMRB-GYCDCWHSSA-L
XLogP7.77
TPSA62.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.24
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze dichloroiron;1-[5-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-3H-pyrrol-2-yl]-N-quinolin-8-ylethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-anthracen-1-yl-1-[5-(N-anthracen-1-yl-C-methylcarbonimidoyl)-3H-pyrrol-2-yl]ethanimine
CID 18718564
dichloroiron;N-(4-diphenylphosphanylphenyl)-1-[5-[N-(4-diphenylphosphanylphenyl)-C-methylcarbonimidoyl]-3H-pyrrol-2-yl]ethanimine
CID 18718653
1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone
CID 138733938
N'-quinolin-8-ylpropanimidamide
CID 63174469
(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-3H-pyrrol-2-yl]ethanimine;dichloroiron
CID 59883821
2-amino-3-methyl-N-quinolin-8-ylbutanimidate;chloroplatinum(1+)
CID 11561912
1-hydroxy-2-quinolin-8-ylguanidine
CID 62484126
5-quinolin-8-yliminoheptan-3-one
CID 139343067
1-phenyl-3-quinolin-8-yliminobutan-1-one
CID 90728099
N'-quinolin-8-ylcyclohexanecarboximidamide
CID 63174574
carbanide;iron(2+);1-[5-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-3H-pyrrol-2-yl]-N-(2-methylphenyl)ethanimine;trifluoromethyl sulfite
CID 18718547
8-(2-methylprop-2-enyl)quinoline
CID 142452195

Frequently Asked Questions

What is the IUPAC name of dichloroiron;1-[5-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-3H-pyrrol-2-yl]-N-quinolin-8-ylethanimine?
The IUPAC name of dichloroiron;1-[5-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-3H-pyrrol-2-yl]-N-quinolin-8-ylethanimine (CID 18718832) is dichloroiron;1-[5-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-3H-pyrrol-2-yl]-N-quinolin-8-ylethanimine.
What is the SMILES notation for dichloroiron;1-[5-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-3H-pyrrol-2-yl]-N-quinolin-8-ylethanimine?
The canonical SMILES for dichloroiron;1-[5-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-3H-pyrrol-2-yl]-N-quinolin-8-ylethanimine is C/C(=N\c1cccc2cccnc12)C1=CCC(/C(C)=N/c2cccc3cccnc23)=N1.Cl[Fe]Cl.
What is the InChIKey of dichloroiron;1-[5-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-3H-pyrrol-2-yl]-N-quinolin-8-ylethanimine?
The InChIKey is JUSDUBYUHNLMRB-GYCDCWHSSA-L. The full InChI is InChI=1S/C26H21N5.2ClH.Fe/c1-17(29-23-11-3-7-19-9-5-15-27-25(19)23)21-13-14-22(31-21)18(2)30-24-12-4-8-20-10-6-16-28-26(20)24;;;/h3-13,15-16H,14H2,1-2H3;2*1H;/q;;;+2/p-2/b29-17+,30-18+;;;.
What are the key properties of dichloroiron;1-[5-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-3H-pyrrol-2-yl]-N-quinolin-8-ylethanimine?
dichloroiron;1-[5-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-3H-pyrrol-2-yl]-N-quinolin-8-ylethanimine has a molecular weight of 530.24 g/mol, XLogP of 7.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;1-[5-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-3H-pyrrol-2-yl]-N-quinolin-8-ylethanimine is sourced from PubChem (CID 18718832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).